#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgw s THR 3 N 0.00 4.12 0.31 -0.18 -4.23 -1.26 -4.89 115.64 109.51 3hgw s THR 3 Ca 0.00 0.84 0.07 0.00 -1.18 0.00 0.00 61.69 61.42 3hgw s THR 3 Cb 0.00 -3.50 0.31 0.00 1.34 0.00 0.00 72.50 70.64 3hgw s THR 3 CO 0.00 -0.75 1.79 -0.65 -0.54 0.00 0.00 174.62 174.47 3hgw h PRO 4 N -0.02 0.73 -0.43 3.99 0.11 -2.01 -1.37 132.00 133.00 3hgw h PRO 4 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 3hgw h PRO 4 Cb 1.21 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3hgw h PRO 4 CO 0.58 0.48 -0.12 0.93 -0.21 0.00 0.00 178.00 179.66 3hgw h GLU 5 N 0.75 0.79 0.00 1.05 3.07 -2.05 -3.04 114.58 115.16 3hgw h GLU 5 Ca 0.56 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3hgw h GLU 5 Cb 0.89 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3hgw h GLU 5 CO -0.35 0.88 0.00 -0.25 -1.40 0.00 0.00 179.01 177.89 3hgw n ASP 6 N -4.15 0.15 -4.73 1.42 8.00 -0.57 -4.86 116.55 111.80 3hgw n ASP 6 Ca 0.01 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.61 3hgw n ASP 6 Cb 0.38 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 3hgw n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hgw n THR 8 N 3.10 0.18 -3.63 0.00 -2.24 -1.26 -5.02 114.28 105.42 3hgw n THR 8 Ca 0.09 -0.36 -0.01 0.00 -2.27 0.00 0.00 64.05 61.50 3hgw n THR 8 Cb 0.41 0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 3hgw n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hgw n GLY 9 N 1.31 1.00 0.27 3.38 0.00 -1.26 -5.04 105.19 104.86 3hgw n GLY 9 Ca -0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 3hgw n GLY 9 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hgw h LEU 10 N 0.00 0.55 -0.27 0.99 3.38 -2.00 -3.15 115.31 114.81 3hgw h LEU 10 Ca -0.12 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3hgw h LEU 10 Cb 0.51 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3hgw h LEU 10 CO 0.16 0.62 -0.05 0.00 0.09 0.00 0.00 178.44 179.26 3hgw h ALA 11 N 1.44 0.20 -0.66 1.53 0.00 -1.99 0.11 119.26 119.89 3hgw h ALA 11 Ca 0.12 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3hgw h ALA 11 Cb 0.36 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3hgw h ALA 11 CO 0.01 -0.45 0.29 -0.44 0.00 0.00 0.00 179.25 178.66 3hgw h ASP 12 N 0.02 0.34 -0.28 0.00 3.32 -1.96 -1.92 116.42 115.94 3hgw h ASP 12 Ca 0.13 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3hgw h ASP 12 Cb 0.19 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3hgw h ASP 12 CO -0.26 0.19 -0.23 0.40 -1.72 0.00 0.00 179.24 177.62 3hgw h ILE 13 N 0.50 1.30 -0.64 0.35 2.04 -1.35 -1.32 117.51 118.39 3hgw h ILE 13 Ca 0.33 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.74 3hgw h ILE 13 Cb 0.39 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3hgw h ILE 13 CO -0.29 0.44 0.13 0.03 0.00 0.00 0.00 178.15 178.46 3hgw h ARG 14 N 0.38 1.02 -0.12 2.37 3.08 -0.68 -1.08 114.38 119.36 3hgw h ARG 14 Ca 0.05 -0.24 -0.20 0.00 0.07 0.00 0.00 59.98 59.66 3hgw h ARG 14 Cb 0.79 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3hgw h ARG 14 CO 0.06 0.92 -0.75 0.93 -1.07 0.00 0.00 179.97 180.06 3hgw h GLU 15 N 0.96 0.60 -0.78 0.04 4.39 -1.32 -2.39 114.58 116.08 3hgw h GLU 15 Ca 0.20 -0.49 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 3hgw h GLU 15 Cb 0.37 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 3hgw h GLU 15 CO 0.00 1.11 0.42 0.00 -1.16 0.00 0.00 179.01 179.39 3hgw h ALA 16 N 0.75 1.01 -0.65 3.43 0.00 -1.06 -1.84 119.26 120.90 3hgw h ALA 16 Ca -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3hgw h ALA 16 Cb 1.35 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3hgw h ALA 16 CO 0.14 0.52 0.26 0.82 0.00 0.00 0.00 179.25 180.99 3hgw h ILE 17 N 1.09 1.24 -0.34 0.00 2.04 -1.18 -0.12 117.51 120.23 3hgw h ILE 17 Ca 0.27 -0.74 0.07 0.00 1.00 0.00 0.00 64.86 65.46 3hgw h ILE 17 Cb 0.04 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 3hgw h ILE 17 CO -0.04 0.29 -0.05 0.44 0.00 0.00 0.00 178.15 178.79 3hgw h ASP 18 N 0.91 -0.25 -0.74 1.72 3.32 -1.21 0.18 116.42 120.36 3hgw h ASP 18 Ca 0.22 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 3hgw h ASP 18 Cb 0.21 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3hgw h ASP 18 CO -0.02 -0.08 0.28 -0.09 -1.72 0.00 0.00 179.24 177.61 3hgw h ARG 19 N 0.04 1.12 -0.35 3.56 9.65 -0.93 0.17 114.38 127.64 3hgw h ARG 19 Ca 0.17 -0.21 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 3hgw h ARG 19 Cb 0.25 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 3hgw h ARG 19 CO -0.32 0.92 -0.04 0.82 2.80 0.00 0.00 179.97 184.14 3hgw h ILE 20 N 1.09 1.27 -0.54 1.20 2.04 -0.87 -1.13 117.51 120.57 3hgw h ILE 20 Ca 0.25 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 3hgw h ILE 20 Cb 0.23 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3hgw h ILE 20 CO -0.02 0.35 0.01 0.44 0.00 0.00 0.00 178.15 178.93 3hgw h ASP 21 N 0.44 0.89 -0.55 1.72 3.32 -0.41 -1.74 116.42 120.08 3hgw h ASP 21 Ca 0.09 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 3hgw h ASP 21 Cb 0.52 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3hgw h ASP 21 CO 0.03 0.94 -0.05 0.25 -1.72 0.00 0.00 179.24 178.69 3hgw h LEU 22 N 0.85 1.01 -0.84 1.55 5.85 -0.64 -2.27 115.31 120.82 3hgw h LEU 22 Ca 0.16 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.65 3hgw h LEU 22 Cb 0.49 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 3hgw h LEU 22 CO 0.02 1.09 0.49 0.44 -0.34 0.00 0.00 178.44 180.14 3hgw h ASP 23 N 0.89 0.69 -0.48 1.25 3.32 -0.89 -0.89 116.42 120.33 3hgw h ASP 23 Ca 0.15 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3hgw h ASP 23 Cb 0.61 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3hgw h ASP 23 CO 0.04 0.39 -0.11 0.40 -1.72 0.00 0.00 179.24 178.24 3hgw h ILE 24 N 0.81 1.27 -0.38 0.35 2.04 -1.14 -0.62 117.51 119.85 3hgw h ILE 24 Ca 0.41 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3hgw h ILE 24 Cb 0.38 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3hgw h ILE 24 CO -0.25 0.43 0.15 0.58 0.00 0.00 0.00 178.15 179.06 3hgw h VAL 25 N 0.76 1.19 -0.58 1.67 2.07 -1.10 0.10 116.25 120.37 3hgw h VAL 25 Ca 0.12 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3hgw h VAL 25 Cb 0.66 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3hgw h VAL 25 CO 0.05 0.21 0.25 1.56 0.02 0.00 0.00 177.57 179.66 3hgw h GLN 26 N 0.47 0.85 -0.59 1.57 4.20 -1.08 0.13 115.11 120.65 3hgw h GLN 26 Ca 0.13 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3hgw h GLN 26 Cb 0.18 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 3hgw h GLN 26 CO -0.01 0.71 0.37 0.00 -0.67 0.00 0.00 178.83 179.23 3hgw h ALA 27 N 1.09 0.76 -0.12 3.87 0.00 -0.98 -1.50 119.26 122.38 3hgw h ALA 27 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hgw h ALA 27 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hgw h ALA 27 CO -0.02 0.12 -0.08 -0.07 0.00 0.00 0.00 179.25 179.20 3hgw h LEU 28 N 0.74 0.17 -0.38 0.00 3.38 -0.13 -0.22 115.31 118.86 3hgw h LEU 28 Ca 0.23 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 3hgw h LEU 28 Cb -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3hgw h LEU 28 CO -0.09 0.28 -0.27 1.23 0.09 0.00 0.00 178.44 179.69 3hgw h GLY 29 N 0.57 0.93 1.58 0.83 0.00 -0.27 -2.64 103.07 104.07 3hgw h GLY 29 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 3hgw h GLY 29 CO 0.01 0.81 -0.44 3.21 0.00 0.00 0.00 176.54 180.13 3hgw h ARG 30 N 0.66 0.46 -0.88 4.80 3.08 -0.93 -2.97 114.38 118.60 3hgw h ARG 30 Ca 0.08 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3hgw h ARG 30 Cb 0.84 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 3hgw h ARG 30 CO 0.07 0.82 0.56 -0.09 -1.07 0.00 0.00 179.97 180.27 3hgw h ARG 31 N 0.38 1.17 -0.58 0.04 2.43 -1.00 -2.63 114.38 114.19 3hgw h ARG 31 Ca 0.03 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 3hgw h ARG 31 Cb 0.93 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3hgw h ARG 31 CO 0.08 0.79 0.02 1.98 -1.51 0.00 0.00 179.97 181.33 3hgw h MET 32 N 1.20 0.99 -0.57 0.20 4.05 -1.32 -1.51 114.93 117.96 3hgw h MET 32 Ca 0.32 -0.29 0.02 0.00 -0.28 0.00 0.00 59.70 59.47 3hgw h MET 32 Cb -0.11 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.55 3hgw h MET 32 CO -0.07 0.95 0.36 -0.44 0.23 0.00 0.00 176.91 177.95 3hgw h ASP 33 N 0.91 0.61 -0.66 1.39 3.32 -1.37 -0.60 116.42 120.02 3hgw h ASP 33 Ca 0.17 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3hgw h ASP 33 Cb 0.50 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3hgw h ASP 33 CO 0.02 0.43 0.10 1.88 -1.72 0.00 0.00 179.24 179.96 3hgw h TYR 34 N 0.73 1.17 -0.61 4.55 0.05 -1.28 -1.90 116.97 119.68 3hgw h TYR 34 Ca 0.22 -0.16 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 3hgw h TYR 34 Cb -0.03 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.37 3hgw h TYR 34 CO -0.05 0.98 -0.01 0.28 -1.05 0.00 0.00 178.16 178.32 3hgw h VAL 35 N 1.02 1.27 -0.25 -2.88 2.07 -0.94 -0.95 116.25 115.58 3hgw h VAL 35 Ca 0.20 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 3hgw h VAL 35 Cb 0.44 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3hgw h VAL 35 CO 0.01 0.42 -0.32 0.11 0.02 0.00 0.00 177.57 177.82 3hgw h LYS 36 N 0.98 0.52 -0.19 1.57 1.57 -1.05 -3.00 116.57 116.97 3hgw h LYS 36 Ca 0.17 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3hgw h LYS 36 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3hgw h LYS 36 CO 0.03 0.78 -0.45 0.00 -0.57 0.00 0.00 179.45 179.24 3hgw h ALA 37 N 1.21 0.87 0.00 3.86 0.00 -1.10 -3.00 119.26 121.09 3hgw h ALA 37 Ca 0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3hgw h ALA 37 Cb 0.78 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hgw h ALA 37 CO 0.06 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.89 3hgw h ALA 38 N 1.13 1.33 0.00 0.00 0.00 -1.04 -2.81 119.26 117.87 3hgw h ALA 38 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hgw h ALA 38 Cb 0.94 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hgw h ALA 38 CO 0.08 0.09 -0.01 0.66 0.00 0.00 0.00 179.25 180.07 3hgw h SER 39 N 0.00 0.00 0.14 0.00 4.64 -1.45 -0.61 113.55 116.27 3hgw h SER 39 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hgw h SER 39 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hgw h SER 39 CO 0.01 0.01 -0.04 0.03 -0.87 0.00 0.00 176.83 175.97 3hgw h ARG 40 N 0.00 0.00 -0.69 4.77 3.08 -1.68 -2.64 114.38 117.22 3hgw h ARG 40 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hgw h ARG 40 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3hgw h ARG 40 CO 0.00 0.04 0.00 1.19 -1.07 0.00 0.00 179.97 180.13 3hgw n PHE 41 N -3.65 0.92 -4.54 3.04 3.72 -0.24 -4.87 117.46 111.84 3hgw n PHE 41 Ca -0.03 -0.46 -0.33 0.00 -0.05 0.00 0.00 57.45 56.58 3hgw n PHE 41 Cb 0.13 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.54 3hgw n PHE 41 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hgw s LYS 42 N -1.08 3.47 0.25 -1.08 -0.14 -1.00 -4.99 119.74 115.17 3hgw s LYS 42 Ca 0.47 -0.63 0.25 0.00 -1.36 0.00 0.00 55.97 54.70 3hgw s LYS 42 Cb 0.24 -2.77 0.70 0.00 -1.68 0.00 0.00 37.83 34.32 3hgw s LYS 42 CO 0.32 0.16 1.72 0.00 -0.76 0.00 0.00 175.35 176.79 3hgw h ALA 43 N 6.91 0.97 -2.45 5.17 0.00 -1.89 -3.46 119.26 124.51 3hgw h ALA 43 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3hgw h ALA 43 Cb 1.20 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 3hgw h ALA 43 CO 0.59 0.00 -0.17 -1.54 0.00 0.00 0.00 179.25 178.12 3hgw s SER 44 N -4.82 -0.33 0.41 0.00 1.04 -1.26 -5.03 113.70 103.71 3hgw s SER 44 Ca 0.10 0.36 0.11 0.00 0.48 0.00 0.00 55.95 56.99 3hgw s SER 44 Cb 0.11 0.47 0.93 0.00 0.10 0.00 0.00 66.02 67.62 3hgw s SER 44 CO 0.62 -0.42 1.98 -0.08 0.98 0.00 0.00 173.24 176.32 3hgw h GLU 45 N 4.00 0.51 0.00 4.02 4.81 -1.96 -2.73 114.58 123.23 3hgw h GLU 45 Ca -0.29 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 3hgw h GLU 45 Cb 1.17 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3hgw h GLU 45 CO 0.37 0.34 -0.16 0.00 -0.73 0.00 0.00 179.01 178.82 3hgw h ALA 46 N 1.68 0.99 -0.02 2.92 0.00 -1.98 -1.92 119.26 120.94 3hgw h ALA 46 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hgw h ALA 46 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hgw h ALA 46 CO -0.08 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3hgw n ALA 47 N -2.18 2.62 -2.50 0.00 0.00 -1.03 -4.62 120.51 112.81 3hgw n ALA 47 Ca 0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 3hgw n ALA 47 Cb 0.43 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 3hgw n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hgw s ILE 48 N -1.98 5.15 0.51 0.00 1.01 -0.72 -2.35 121.20 122.81 3hgw s ILE 48 Ca 0.33 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.72 3hgw s ILE 48 Cb 0.16 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.70 3hgw s ILE 48 CO 0.26 -0.30 0.70 -2.16 0.00 0.00 0.00 174.94 173.43 3hgw s PRO 49 N 2.00 2.60 -0.14 2.79 0.04 -1.26 -5.02 135.00 136.01 3hgw s PRO 49 Ca 0.10 -1.05 -0.29 0.00 0.04 0.00 0.00 61.00 59.80 3hgw s PRO 49 Cb -0.17 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 3hgw s PRO 49 CO 0.12 -0.57 1.62 0.00 0.04 0.00 0.00 177.00 178.21 3hgw s ALA 50 N -2.60 3.44 0.40 8.56 0.00 -0.99 -4.90 121.76 125.67 3hgw s ALA 50 Ca 0.57 0.68 0.08 0.00 0.00 0.00 0.00 51.96 53.29 3hgw s ALA 50 Cb -0.10 -3.79 0.86 0.00 0.00 0.00 0.00 23.12 20.09 3hgw s ALA 50 CO 0.36 -1.67 2.02 -1.35 0.00 0.00 0.00 175.76 175.12 3hgw h PRO 51 N 10.14 0.56 -0.02 0.00 0.11 -1.96 -1.62 132.00 139.21 3hgw h PRO 51 Ca -0.36 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.57 3hgw h PRO 51 Cb 1.16 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3hgw h PRO 51 CO 0.98 0.37 -0.67 0.93 -0.21 0.00 0.00 178.00 179.40 3hgw h GLU 52 N 0.58 0.11 0.51 1.05 3.07 -1.98 -1.79 114.58 116.14 3hgw h GLU 52 Ca 0.21 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3hgw h GLU 52 Cb 0.11 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3hgw h GLU 52 CO -0.05 0.74 -0.25 -0.09 -1.40 0.00 0.00 179.01 177.96 3hgw h ARG 53 N 0.08 -0.67 -0.91 2.33 9.65 -1.71 -2.14 114.38 121.02 3hgw h ARG 53 Ca -0.01 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.02 3hgw h ARG 53 Cb 1.19 0.15 -0.08 0.00 -1.39 0.00 0.00 29.97 29.84 3hgw h ARG 53 CO 0.10 -0.38 0.54 0.28 2.80 0.00 0.00 179.97 183.30 3hgw h VAL 54 N -0.84 0.90 0.00 0.20 2.07 -1.48 0.11 116.25 117.22 3hgw h VAL 54 Ca -0.07 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3hgw h VAL 54 Cb 0.59 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3hgw h VAL 54 CO 0.12 0.16 -0.21 0.00 0.02 0.00 0.00 177.57 177.66 3hgw h ALA 55 N 1.50 1.36 0.04 1.67 0.00 -1.23 -2.46 119.26 120.14 3hgw h ALA 55 Ca 0.45 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.84 3hgw h ALA 55 Cb 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3hgw h ALA 55 CO -0.26 0.26 -1.86 0.00 0.00 0.00 0.00 179.25 177.39 3hgw n ALA 56 N -2.37 1.30 -0.21 0.00 0.00 -0.78 -4.34 120.51 114.11 3hgw n ALA 56 Ca -0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 53.44 52.66 3hgw n ALA 56 Cb 0.30 -0.74 0.10 0.00 0.00 0.00 0.00 19.45 19.12 3hgw n ALA 56 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hgw h MET 57 N 0.02 0.52 0.32 0.00 2.86 -0.56 -3.20 114.93 114.89 3hgw h MET 57 Ca -0.35 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 3hgw h MET 57 Cb 2.03 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.58 3hgw h MET 57 CO 0.07 0.35 -0.15 -0.07 1.06 0.00 0.00 176.91 178.17 3hgw h LEU 58 N 0.54 -0.36 -1.87 1.22 3.38 -1.64 -1.99 115.31 114.59 3hgw h LEU 58 Ca 0.30 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hgw h LEU 58 Cb 0.28 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hgw h LEU 58 CO -0.24 -0.02 0.12 1.55 0.09 0.00 0.00 178.44 179.94 3hgw h PRO 59 N -0.74 0.17 -0.60 1.13 0.13 -1.79 -0.81 132.00 129.49 3hgw h PRO 59 Ca -0.04 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3hgw h PRO 59 Cb 0.50 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 3hgw h PRO 59 CO 0.07 0.11 0.26 1.49 -0.23 0.00 0.00 178.00 179.70 3hgw h GLU 60 N 0.17 0.88 -0.15 0.86 4.81 -1.50 0.27 114.58 119.91 3hgw h GLU 60 Ca 0.07 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 3hgw h GLU 60 Cb 0.07 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.31 3hgw h GLU 60 CO -0.01 0.73 -0.59 0.00 -0.73 0.00 0.00 179.01 178.42 3hgw h ARG 61 N 0.82 0.66 -0.46 1.92 2.47 -0.90 -0.47 114.38 118.42 3hgw h ARG 61 Ca 0.20 -0.51 0.06 0.00 -1.26 0.00 0.00 59.98 58.47 3hgw h ARG 61 Cb 0.17 0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.53 3hgw h ARG 61 CO -0.02 1.13 0.16 0.00 0.56 0.00 0.00 179.97 181.80 3hgw h ALA 62 N 0.53 0.56 -0.60 0.04 0.00 -1.10 0.16 119.26 118.86 3hgw h ALA 62 Ca -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hgw h ALA 62 Cb 1.22 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3hgw h ALA 62 CO 0.12 -0.23 0.24 -0.09 0.00 0.00 0.00 179.25 179.30 3hgw h ARG 63 N 0.34 0.89 -0.74 0.00 2.43 -0.35 -1.68 114.38 115.26 3hgw h ARG 63 Ca 0.22 -0.16 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 3hgw h ARG 63 Cb 0.22 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 3hgw h ARG 63 CO -0.22 0.76 0.42 -1.49 -1.51 0.00 0.00 179.97 177.92 3hgw h TRP 64 N 0.83 0.76 0.18 2.20 6.55 -0.78 -2.28 115.95 123.40 3hgw h TRP 64 Ca 0.20 0.03 0.01 0.00 0.95 0.00 0.00 58.89 60.07 3hgw h TRP 64 Cb 0.20 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.24 3hgw h TRP 64 CO 0.01 0.34 -0.21 0.00 -1.05 0.00 0.00 178.44 177.53 3hgw h ALA 65 N 1.39 -0.41 -0.96 1.49 0.00 -0.26 -2.09 119.26 118.43 3hgw h ALA 65 Ca 0.34 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.31 3hgw h ALA 65 Cb 0.25 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 3hgw h ALA 65 CO -0.21 -0.76 0.61 0.93 0.00 0.00 0.00 179.25 179.82 3hgw h GLU 66 N -0.44 0.90 0.00 0.00 4.39 -1.18 0.16 114.58 118.41 3hgw h GLU 66 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3hgw h GLU 66 Cb 0.42 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3hgw h GLU 66 CO -0.07 0.59 0.00 0.93 -1.16 0.00 0.00 179.01 179.31 3hgw h GLU 67 N 0.92 0.00 -0.22 2.33 5.08 -0.94 -2.93 114.58 118.83 3hgw h GLU 67 Ca 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 3hgw h GLU 67 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hgw h GLU 67 CO -0.23 0.00 -0.01 0.09 -1.00 0.00 0.00 179.01 177.86 3hgw n ASN 68 N -2.36 3.52 -0.04 1.42 4.13 -0.46 -4.96 115.26 116.50 3hgw n ASN 68 Ca 0.02 -3.08 -0.01 0.00 1.68 0.00 0.00 54.58 53.19 3hgw n ASN 68 Cb 0.25 -0.53 -0.00 0.00 -1.54 0.00 0.00 39.78 37.96 3hgw n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hgw n GLY 69 N -0.72 0.43 3.50 7.41 0.00 -1.09 -5.03 105.19 109.69 3hgw n GLY 69 Ca 0.21 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 3hgw n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hgw s LEU 70 N -0.13 2.70 -0.08 0.99 1.43 -0.08 -5.00 118.68 118.50 3hgw s LEU 70 Ca 0.00 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 51.96 3hgw s LEU 70 Cb 0.00 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 3hgw s LEU 70 CO 0.00 0.07 1.27 -0.62 0.23 0.00 0.00 176.35 177.30 3hgw s ASP 71 N -3.17 6.97 0.06 2.29 2.15 -1.26 -2.84 116.67 120.87 3hgw s ASP 71 Ca 0.27 1.84 -0.27 0.00 0.43 0.00 0.00 52.55 54.82 3hgw s ASP 71 Cb -0.07 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 39.83 3hgw s ASP 71 CO 0.14 -0.67 1.58 0.00 -0.17 0.00 0.00 175.17 176.04 3hgw h ALA 72 N 7.83 -0.34 -0.61 3.66 0.00 -1.90 -2.25 119.26 125.65 3hgw h ALA 72 Ca -0.33 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.57 3hgw h ALA 72 Cb 1.15 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 3hgw h ALA 72 CO 0.91 -0.64 0.21 -1.35 0.00 0.00 0.00 179.25 178.38 3hgw h PRO 73 N -0.44 0.36 -0.01 0.00 0.11 -1.93 0.30 132.00 130.39 3hgw h PRO 73 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3hgw h PRO 73 Cb 0.34 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3hgw h PRO 73 CO 0.06 0.24 0.01 0.35 -0.21 0.00 0.00 178.00 178.44 3hgw h PHE 74 N 0.37 0.02 -0.24 0.65 3.57 -1.97 -1.33 116.94 118.02 3hgw h PHE 74 Ca 0.31 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 3hgw h PHE 74 Cb 0.41 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3hgw h PHE 74 CO -0.18 0.18 -0.31 0.28 -2.23 0.00 0.00 178.31 176.05 3hgw h VAL 75 N -0.15 1.28 -0.66 1.41 2.07 -1.20 -0.17 116.25 118.83 3hgw h VAL 75 Ca 0.00 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 3hgw h VAL 75 Cb 0.17 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3hgw h VAL 75 CO -0.00 0.43 0.11 -0.08 0.02 0.00 0.00 177.57 178.05 3hgw h GLU 76 N 0.42 1.09 -0.48 1.57 4.81 -0.36 -1.12 114.58 120.51 3hgw h GLU 76 Ca 0.05 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3hgw h GLU 76 Cb 0.75 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3hgw h GLU 76 CO 0.06 0.99 0.16 0.78 -0.73 0.00 0.00 179.01 180.27 3hgw h GLY 77 N 1.05 0.79 0.80 1.92 0.00 -0.90 0.00 103.07 106.73 3hgw h GLY 77 Ca 0.20 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.10 3hgw h GLY 77 CO 0.01 0.43 0.06 -2.00 0.00 0.00 0.00 176.54 175.04 3hgw h LEU 78 N 0.64 0.05 -1.10 3.11 5.85 -0.80 -1.98 115.31 121.07 3hgw h LEU 78 Ca 0.16 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3hgw h LEU 78 Cb 0.25 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3hgw h LEU 78 CO -0.01 0.06 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.59 3hgw h PHE 79 N 0.15 0.29 -0.64 1.25 0.04 -1.12 -1.84 116.94 115.07 3hgw h PHE 79 Ca 0.09 -0.06 0.07 0.00 2.80 0.00 0.00 57.97 60.88 3hgw h PHE 79 Cb 0.08 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.10 3hgw h PHE 79 CO -0.13 0.53 0.32 0.00 -0.60 0.00 0.00 178.31 178.43 3hgw h ALA 80 N 1.47 0.86 -0.30 2.45 0.00 -0.63 0.28 119.26 123.38 3hgw h ALA 80 Ca 0.03 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3hgw h ALA 80 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hgw h ALA 80 CO 0.05 -0.04 -0.09 1.96 0.00 0.00 0.00 179.25 181.12 3hgw h GLN 81 N 0.58 0.60 0.45 0.00 4.20 -0.99 -1.19 115.11 118.77 3hgw h GLN 81 Ca 0.30 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hgw h GLN 81 Cb 0.26 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3hgw h GLN 81 CO -0.22 0.80 -0.34 0.82 -0.67 0.00 0.00 178.83 179.22 3hgw h ILE 82 N 0.36 0.31 -0.82 2.54 2.04 -1.15 -0.95 117.51 119.84 3hgw h ILE 82 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 3hgw h ILE 82 Cb 0.59 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3hgw h ILE 82 CO 0.03 0.00 0.50 0.40 0.00 0.00 0.00 178.15 179.08 3hgw h ILE 83 N -0.78 1.01 -0.10 -0.67 2.04 -0.94 -0.54 117.51 117.54 3hgw h ILE 83 Ca -0.05 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3hgw h ILE 83 Cb 0.66 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3hgw h ILE 83 CO 0.01 0.17 0.04 -0.74 0.00 0.00 0.00 178.15 177.63 3hgw h HIS 84 N 0.90 0.14 -0.52 1.37 2.76 -1.10 -0.15 115.15 118.56 3hgw h HIS 84 Ca 0.36 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.45 3hgw h HIS 84 Cb 0.20 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 3hgw h HIS 84 CO -0.04 0.22 0.03 2.35 -1.30 0.00 0.00 177.93 179.19 3hgw h TRP 85 N 0.02 0.97 -0.37 5.26 2.91 -0.82 -2.49 115.95 121.43 3hgw h TRP 85 Ca 0.03 -0.16 -0.09 0.00 1.13 0.00 0.00 58.89 59.81 3hgw h TRP 85 Cb 0.14 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.51 3hgw h TRP 85 CO -0.03 0.89 -0.13 1.88 -1.03 0.00 0.00 178.44 180.02 3hgw h TYR 86 N 0.77 0.71 -0.23 2.65 0.99 -1.07 -0.67 116.97 120.12 3hgw h TYR 86 Ca 0.15 -0.13 0.05 0.00 2.00 0.00 0.00 58.73 60.81 3hgw h TYR 86 Cb 0.48 -0.18 -0.05 0.00 1.00 0.00 0.00 36.73 37.98 3hgw h TYR 86 CO 0.04 0.75 -0.10 1.15 -0.00 0.00 0.00 178.16 180.00 3hgw h THR 87 N 0.59 0.68 -0.74 -2.88 2.02 -0.90 0.26 112.91 111.95 3hgw h THR 87 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 3hgw h THR 87 Cb 0.57 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3hgw h THR 87 CO 0.04 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.34 3hgw h ALA 88 N 1.15 0.94 -0.61 6.16 0.00 -0.96 -1.14 119.26 124.81 3hgw h ALA 88 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hgw h ALA 88 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hgw h ALA 88 CO -0.27 0.44 0.02 0.93 0.00 0.00 0.00 179.25 180.37 3hgw h GLU 89 N 1.01 1.05 -0.72 0.00 4.39 -0.88 -1.85 114.58 117.58 3hgw h GLU 89 Ca 0.26 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3hgw h GLU 89 Cb 0.02 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3hgw h GLU 89 CO -0.04 1.01 0.42 0.37 -1.16 0.00 0.00 179.01 179.61 3hgw h GLN 90 N 0.97 0.98 -0.10 2.33 4.15 -0.11 -1.50 115.11 121.83 3hgw h GLN 90 Ca 0.18 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3hgw h GLN 90 Cb 0.53 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 3hgw h GLN 90 CO 0.03 0.71 0.05 0.82 -1.93 0.00 0.00 178.83 178.51 3hgw h ILE 91 N 0.98 1.10 -0.43 2.39 2.04 -1.02 0.91 117.51 123.49 3hgw h ILE 91 Ca 0.26 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3hgw h ILE 91 Cb -0.01 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3hgw h ILE 91 CO -0.05 0.08 0.02 0.11 0.00 0.00 0.00 178.15 178.31 3hgw h LYS 92 N 0.06 0.12 -0.62 2.37 1.57 -1.21 -0.95 116.57 117.92 3hgw h LYS 92 Ca 0.04 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3hgw h LYS 92 Cb 0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3hgw h LYS 92 CO -0.01 0.08 0.12 -0.92 -0.57 0.00 0.00 179.45 178.15 3hgw h TYR 93 N 0.13 1.04 -0.28 -1.35 3.20 -1.04 -1.22 116.97 117.45 3hgw h TYR 93 Ca 0.21 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3hgw h TYR 93 Cb 0.30 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3hgw h TYR 93 CO -0.27 0.87 0.08 2.35 -1.64 0.00 0.00 178.16 179.55 3hgw h TRP 94 N 0.94 0.45 -0.71 -3.82 7.01 -0.50 -2.33 115.95 116.99 3hgw h TRP 94 Ca 0.19 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 3hgw h TRP 94 Cb 0.38 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 3hgw h TRP 94 CO 0.03 0.49 0.37 0.00 -2.79 0.00 0.00 178.44 176.54 3hgw h ARG 95 N 0.28 1.01 -0.19 2.65 3.08 -0.97 0.16 114.38 120.40 3hgw h ARG 95 Ca 0.09 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3hgw h ARG 95 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3hgw h ARG 95 CO -0.00 0.77 -0.24 1.96 -1.07 0.00 0.00 179.97 181.38 3hgw h GLN 96 N 0.99 0.34 0.00 0.04 4.20 -1.12 -3.30 115.11 116.25 3hgw h GLN 96 Ca 0.25 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3hgw h GLN 96 Cb 0.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3hgw h GLN 96 CO -0.04 0.57 -1.73 0.25 -0.67 0.00 0.00 178.83 177.21 3hgw n THR 97 N -4.15 0.07 -0.48 -0.54 -2.24 -0.89 -5.10 114.28 100.95 3hgw n THR 97 Ca -0.01 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3hgw n THR 97 Cb 0.38 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3hgw n THR 97 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04